⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28117402 | 0.92 | — | — | |
| SCHEMBL9798558 | 0.78 | NAAA (0.32) | — | |
| SCHEMBL231863 | 0.75 | TSHR (0.49) | — | |
| SCHEMBL229724 | 0.74 | TSHR (0.45) | — | |
| SCHEMBL9999670 | 0.73 | CYP1A2 (0.37) | — | |
| Methacrylic Acid SCHEMBL31166304 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL17227787 | 0.72 | CYP1A2 (0.40) | — | |
| SCHEMBL16169943 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL22187096 | 0.71 | ABHD16A (0.38) | — | |
| SCHEMBL10820213 | 0.71 | NAAA (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103764708-B | Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate | 东洋油墨SC控股株式会社 | 2016-12-14 | — | — | CN | disclosed |